NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9562 8.0549 114.0299 61.4979 33.0056 173.9975 2 H 4.7001 8.3929 116.7883 54.1853 31.7357 171.5180 3 L 4.9372 8.4984 124.4484 52.7414 45.3485 176.6993 4 T 4.1494 8.7284 116.6305 60.9615 69.3436 173.6712 5 P 4.2037 0.0000 0.0000 65.8634 31.3357 178.5672 6 E 3.9466 8.1719 116.5558 59.5501 29.4106 179.2106 7 E 3.8698 7.9311 117.6970 59.4744 29.7401 179.1180 8 K 3.7826 8.1185 118.5416 59.8256 32.1130 179.2564 9 S 4.0915 8.3148 112.9668 61.2824 62.2149 176.1309 10 A 4.0336 7.8989 123.5196 54.8662 18.2260 179.8106 11 V 3.4960 7.8856 116.7765 66.4398 31.7080 178.1643 12 T 3.9228 7.9565 115.1404 66.7862 68.1501 176.3452 13 A 4.0229 7.9414 120.9308 55.2007 18.7723 179.0609 14 L 3.8590 8.2866 119.0183 58.0701 42.0717 179.0147 15 W 4.3982 8.6026 128.0748 60.0420 30.4354 178.0874 16 G 3.7352 8.1016 104.9501 47.0447 0.0000 174.6779 17 K 4.5280 7.7453 118.1717 55.4009 32.7566 176.5006 18 V 3.7253 7.1437 120.7619 61.7501 31.6561 175.8685 19 N 4.4314 8.3852 126.2784 52.6868 38.7076 174.9883 20 V 3.3933 8.0530 128.1756 65.8666 31.5798 176.9837 21 D 4.3484 8.1509 118.0082 57.6611 40.7322 178.6922 22 E 3.8967 8.2170 118.5420 59.4495 29.3946 179.6930 23 V 3.5636 7.9073 118.4992 65.6070 31.4512 178.0429 24 G 3.8170 8.5656 106.1750 47.9893 0.0000 175.6586 25 G 3.6607 7.7481 108.9094 47.3518 0.0000 175.8574 26 K 3.9549 8.0064 120.6653 59.0291 31.9818 179.4468 27 A 3.9210 8.2702 121.5094 54.9810 18.2815 179.5132 28 L 3.9578 8.2306 119.2513 57.9224 42.1739 179.2137 29 G 3.6036 8.1101 105.7690 48.0668 0.0000 175.8498 30 R 3.8463 8.1413 121.2102 58.4842 29.9455 178.6469 31 L 3.9716 8.1640 120.5693 58.5568 42.1103 179.2718 32 L 4.0209 7.8566 119.5159 56.4901 41.2375 179.5861 33 V 3.5876 7.2153 117.7816 65.5412 31.7385 177.9403 34 V 3.4897 7.8675 116.9154 64.5136 32.7735 175.8957 35 Y 3.6366 7.1610 117.8594 54.5824 37.4075 174.3859 36 P 4.7604 0.0000 0.0000 64.1029 31.8821 178.0185 37 W 4.4484 7.8272 116.3179 58.6910 27.9054 177.7087 38 T 4.2514 7.8311 111.2143 64.1844 68.3733 175.9726 39 Q 4.4074 8.1187 121.3428 57.8716 28.4658 178.3362 40 R 3.8783 7.5288 116.5396 58.3006 29.5655 177.7361 41 F 4.4595 7.1391 116.4804 57.4252 39.2964 175.8363 42 F 4.5746 7.6283 117.2381 56.8325 39.9573 176.5313 43 E 3.9294 8.5001 123.9411 59.7116 29.2362 178.8328 44 S 4.6702 8.0681 109.9057 58.8271 63.4246 174.5023 45 F 4.6346 8.5974 119.8387 58.2038 39.9893 176.9949 46 G 4.0443 7.6407 106.9558 45.2557 0.0000 174.5318 47 D 4.6142 8.5821 125.0117 53.8879 41.5271 175.7923 48 L 4.8854 8.3452 125.4100 54.6377 43.3772 177.3656 49 S 4.4489 8.1515 114.3529 59.6562 63.7530 174.2238 50 T 4.7364 7.3840 110.9933 58.5958 73.0329 172.5826 51 P 4.2641 0.0000 0.0000 65.8746 31.4343 178.7838 52 D 4.2980 8.0398 117.0226 57.1849 40.5912 178.4364 53 A 3.9952 8.0714 120.7480 55.1490 18.5580 179.5643 54 V 3.6875 8.2176 117.1399 66.4404 31.4721 177.9151 55 M 4.3334 8.2377 116.4111 56.7162 32.0412 177.7052 56 G 4.0645 7.5459 103.8277 43.3789 0.0000 173.6337 57 N 4.4981 7.4535 121.4614 52.7338 39.8468 173.7231 58 P 4.2879 0.0000 0.0000 65.7500 31.5387 178.7287 59 K 3.6464 7.9778 118.0389 58.8926 31.8237 179.1817 60 V 3.7583 8.4408 118.9398 66.1106 31.5059 178.1626 61 K 3.8950 8.0044 117.8995 59.3848 31.9106 179.1595 62 A 3.9543 8.1281 121.0371 55.5024 18.3187 179.2318 63 H 4.3491 8.6195 117.2559 59.2469 29.9794 177.4462 64 G 3.7446 8.5012 108.3182 47.9155 0.0000 175.7274 65 K 4.1036 8.1656 121.1933 59.3696 32.5544 179.6092 66 K 3.9698 7.8876 119.2861 59.2838 32.0771 179.0312 67 V 3.6124 7.7358 118.6641 66.4201 31.3166 177.7879 68 L 4.4235 8.2126 119.3017 57.3931 41.9979 178.9995 69 G 3.7146 8.1968 105.7409 47.8708 0.0000 175.6683 70 A 4.1479 8.0262 122.3948 54.5260 18.7120 179.1121 71 F 4.2623 8.6012 119.4008 61.5980 39.5086 177.0905 72 S 4.0683 8.8582 113.0539 61.8526 62.1049 175.9270 73 D 4.5269 8.2682 121.3364 57.3856 40.4474 179.1107 74 G 3.5698 7.9540 105.9145 47.3230 0.0000 175.4664 75 L 3.8075 7.3934 119.6194 56.3808 41.6137 178.0123 76 A 4.4113 7.2599 119.4861 52.0814 19.4324 176.6494 77 H 4.8759 8.2067 116.0200 55.3062 29.9550 175.6457 78 L 3.9190 8.0488 120.1077 57.2930 41.7938 178.1499 79 D 4.6626 7.8875 116.1643 54.6708 41.8957 176.5619 80 N 5.0244 8.0940 118.1472 51.5309 40.0224 174.5766 81 L 4.1165 7.9018 122.9851 57.4559 41.8437 179.0336 82 K 4.0618 8.1162 118.1515 59.6877 31.8816 179.5163 83 G 3.6692 7.9729 103.6890 47.9956 0.0000 175.3602 84 T 3.8888 7.5807 116.7607 65.1859 68.6315 175.3842 85 F 4.6104 7.6557 116.5969 56.8352 40.1108 176.9735 86 A 4.0565 7.7489 124.3512 55.4870 17.9919 180.5356 87 T 3.8910 7.7690 113.6587 66.8123 68.8462 176.9387 88 L 4.0833 7.9838 120.4050 57.7995 41.6553 179.1792 89 S 4.4712 8.7074 114.7536 61.0124 62.3500 176.2125 90 E 3.9285 8.3212 120.9531 59.2717 29.1795 179.1601 91 L 3.9266 8.0013 120.3131 58.5813 42.1469 178.8488 92 H 4.1795 8.4432 116.1702 59.1766 28.3643 176.9303 93 C 3.3416 7.7743 120.6902 62.2531 31.0065 175.3209 94 D 4.3321 8.4887 121.3146 56.4974 40.7556 178.2457 95 K 4.1225 7.6749 118.1608 58.4944 32.9606 177.8325 96 L 4.2311 7.7851 116.4418 54.2516 42.5962 176.1117 97 H 4.0748 7.2805 113.8050 56.6447 26.7172 175.4787 98 V 3.8031 7.8354 118.5947 60.8155 32.0865 174.6608 99 D 4.3043 8.8346 127.3794 54.0945 41.4043 175.2602 100 P 2.9700 0.0000 0.0000 64.5535 31.7420 177.9429 101 E 3.8598 8.3245 118.9765 59.2412 29.1987 178.3841 102 N 4.2830 8.0446 116.8275 56.3189 38.5146 177.2521 103 F 4.4456 7.3773 119.1841 60.4692 38.9216 177.7212 104 R 3.9541 7.8404 118.0765 59.2974 29.9621 178.4157 105 L 3.8172 7.8490 118.9170 57.6213 41.5926 179.2233 106 L 4.0907 8.2949 120.6382 58.0894 41.9726 179.2181 107 G 3.7309 8.2411 105.7248 47.9472 0.0000 175.4694 108 N 4.4859 8.2899 118.8400 55.9742 38.4614 177.8167 109 V 3.6250 8.0945 119.8967 65.6783 31.5906 177.6683 110 L 3.8513 8.3629 120.5539 58.2629 41.8301 178.9337 111 V 3.5587 8.1364 118.3688 66.4649 31.3459 177.7085 112 C 4.0625 8.0866 116.1538 62.8663 27.8877 176.3713 113 V 3.5417 8.0305 120.1076 65.8247 30.9949 178.1640 114 L 3.8437 7.9116 118.6834 57.4436 41.4118 178.9749 115 A 3.7472 7.1217 120.8091 55.5177 18.0599 178.9856 116 H 4.0598 8.1228 115.3033 59.8608 29.9578 176.5962 117 H 3.9912 8.0164 118.6532 58.6764 29.9027 176.4561 118 F 4.6200 8.4889 118.1109 56.8688 39.6034 177.3650 119 G 3.9418 8.7251 109.3267 45.8023 0.0000 176.8788 120 K 3.9840 8.9556 121.4078 59.6098 32.2018 177.8436 121 E 4.0719 7.9146 119.5922 58.3717 30.0058 177.0626 122 F 4.5389 8.3286 123.4420 57.2400 37.8817 175.1767 123 T 4.2359 7.3355 115.7770 60.0203 71.4067 173.5572 124 P 4.1676 0.0000 0.0000 65.6436 31.3165 177.1067 125 P 4.1872 0.0000 0.0000 65.4851 31.2668 178.8617 126 V 3.5430 7.4700 116.8740 65.7710 31.3823 177.7170 127 Q 3.5469 7.9005 119.4825 59.1543 28.8650 178.2314 128 A 4.0101 8.1446 121.5190 55.0932 18.3275 179.4665 129 A 3.8561 7.8283 118.6386 55.7091 18.4545 179.5497 130 Y 3.7655 8.2087 115.1817 61.1533 37.8917 178.8833 131 Q 4.1216 8.9347 119.4604 58.9494 28.8261 178.9497 132 K 3.9719 8.0686 119.5174 59.3313 31.9994 179.5913 133 V 3.4808 7.6473 118.4795 66.2066 31.4388 178.6236 134 V 3.8531 8.3261 112.3057 64.2415 31.4021 178.5174 135 A 4.1137 8.2208 120.9791 54.7860 18.1041 179.8893 136 G 3.5020 8.1216 104.3938 47.9456 0.0000 176.0169 137 V 3.1998 8.0376 121.3493 65.4805 31.5052 177.8484 138 A 3.9249 8.0631 120.4835 55.3776 17.9623 179.3798 139 N 4.3751 8.1081 113.7824 56.0734 38.8028 177.3079 140 A 4.1604 8.0810 122.6439 55.1269 18.6599 179.5270 141 L 4.0106 8.1345 117.0058 56.7828 41.7457 178.6155 142 A 4.2571 7.9416 119.9909 53.4857 18.6245 178.6545 143 H 4.3328 7.9742 116.3815 58.2781 29.9552 175.8161 144 K 4.4692 8.0863 117.9849 56.0738 32.2511 176.1596 145 Y 4.2114 8.0444 117.7223 58.5158 38.3776 175.8120 146 H 4.4525 8.3504 117.6336 56.1803 28.2695 173.2921 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 3.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.85 0.00 0.00 2 H 8.39 4.70 0.00 3.15 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.50 4.94 0.00 1.53 1.49 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.73 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 5 P 0.00 4.20 0.00 2.18 2.09 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 E 8.17 3.95 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 7 E 7.93 3.87 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 8 K 8.12 3.78 0.00 1.75 1.84 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 S 8.31 4.09 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.90 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.89 3.50 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.51 0.00 0.00 12 T 7.96 3.92 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 A 7.94 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.29 3.86 0.00 1.93 1.94 0.44 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.60 4.40 0.00 3.87 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.75 4.53 0.00 1.85 2.07 0.00 1.65 0.00 0.00 1.38 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 18 V 7.14 3.73 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.80 0.00 0.00 19 N 8.39 4.43 0.00 2.71 2.59 0.00 0.00 6.80 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.05 3.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.88 0.00 0.00 21 D 8.15 4.35 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.22 3.90 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 23 V 7.91 3.56 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.73 0.00 0.00 24 G 8.57 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.01 3.95 0.00 1.87 1.79 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.52 7.81 27 A 8.27 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.23 3.96 0.00 1.72 1.69 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.11 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.14 3.85 0.00 1.85 1.91 0.00 3.08 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 31 L 8.16 3.97 0.00 1.76 1.88 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.86 4.02 0.00 1.91 1.67 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.22 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 34 V 7.87 3.49 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.75 0.00 0.00 35 Y 7.16 3.64 0.00 2.68 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.76 0.00 2.31 2.28 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 37 W 7.83 4.45 0.00 3.55 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.83 4.25 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 39 Q 8.12 4.41 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 40 R 7.53 3.88 0.00 1.63 1.94 0.00 2.99 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.14 4.46 0.00 1.66 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.63 4.57 0.00 2.98 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.50 3.93 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 44 S 8.07 4.67 0.00 4.13 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.60 4.63 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.64 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.58 4.61 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.35 4.89 0.00 1.65 1.61 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.15 4.45 0.00 3.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.38 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.26 0.00 2.15 2.10 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 52 D 8.04 4.30 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.07 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.22 3.69 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 55 M 8.24 4.33 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.80 0.00 56 G 7.55 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.45 4.50 0.00 2.92 2.85 0.00 0.00 6.90 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.29 0.00 2.25 2.25 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 K 7.98 3.65 0.00 1.52 0.74 0.00 1.74 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.34 7.81 60 V 8.44 3.76 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 61 K 8.00 3.90 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 62 A 8.13 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.62 4.35 0.00 3.56 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.50 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.17 4.10 0.00 2.18 2.26 0.00 1.31 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.49 7.81 66 K 7.89 3.97 0.00 2.02 1.95 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.49 7.81 67 V 7.74 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 68 L 8.21 4.42 0.00 2.02 1.79 1.29 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.20 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.03 4.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.60 4.26 0.00 3.33 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.86 4.07 0.00 4.65 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.27 4.53 0.00 2.97 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.95 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.39 3.81 0.00 1.44 1.41 -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.26 4.41 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.21 4.88 0.00 3.12 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.05 3.92 0.00 1.52 1.65 0.76 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.89 4.66 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.09 5.02 0.00 2.67 2.61 0.00 0.00 7.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.90 4.12 0.00 1.74 1.79 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.12 4.06 0.00 1.74 1.80 0.00 1.37 0.00 0.00 1.32 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 83 G 7.97 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.58 3.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 85 F 7.66 4.61 0.00 3.23 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.75 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.77 3.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 88 L 7.98 4.08 0.00 2.00 1.88 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.71 4.47 0.00 4.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.32 3.93 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 91 L 8.00 3.93 0.00 1.78 1.97 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.44 4.18 0.00 3.77 3.78 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.77 3.34 0.00 1.30 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.49 4.33 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.67 4.12 0.00 1.70 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.50 7.81 96 L 7.79 4.23 0.00 1.70 1.61 0.68 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.28 4.07 0.00 3.43 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.84 3.80 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.42 0.00 0.00 99 D 8.83 4.30 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 2.97 0.00 1.89 1.78 0.00 3.36 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 101 E 8.32 3.86 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 102 N 8.04 4.28 0.00 2.45 2.74 0.00 0.00 6.90 8.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.38 4.45 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.84 3.95 0.00 1.87 2.02 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 105 L 7.85 3.82 0.00 1.75 1.29 0.69 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.29 4.09 0.00 1.81 1.86 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.29 4.49 0.00 2.94 2.96 0.00 0.00 6.64 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.09 3.63 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.10 0.00 0.00 110 L 8.36 3.85 0.00 1.67 1.75 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.14 3.56 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.21 0.00 0.00 112 C 8.09 4.06 0.00 3.18 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.03 3.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.88 0.00 0.00 114 L 7.91 3.84 0.00 0.97 1.29 0.62 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.12 3.75 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.12 4.06 0.00 3.12 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.02 3.99 0.00 2.87 2.67 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.49 4.62 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.73 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.96 3.98 0.00 1.89 2.02 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 121 E 7.91 4.07 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 122 F 8.33 4.54 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.34 4.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.16 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 125 P 0.00 4.19 0.00 2.11 2.07 0.00 3.50 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 126 V 7.47 3.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 127 Q 7.90 3.55 0.00 1.79 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 128 A 8.14 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.83 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.21 3.77 0.00 3.38 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.93 4.12 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 8.07 3.97 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.65 3.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.70 0.00 0.00 134 V 8.33 3.85 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.10 0.00 0.00 135 A 8.22 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.12 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.04 3.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.66 0.00 0.00 138 A 8.06 3.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.11 4.38 0.00 2.70 2.88 0.00 0.00 7.02 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.08 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.13 4.01 0.00 0.82 0.71 -0.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.94 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.97 4.33 0.00 3.31 3.57 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.09 4.47 0.00 1.85 1.84 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.75 7.81 145 Y 8.04 4.21 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.35 4.45 0.00 3.21 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00